Summary

IMPPAT Phytochemical identifier: IMPHY007921

Phytochemical name: Densiflorine

Synonymous chemical names:
densiflorine

External chemical identifiers:
CID:343060

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Chemical structure information

SMILES:
COc1cc(c(cc1OC)CCN(C)C)C1C(=O)c2c(C1=O)ccc1c2OCO1

InChI:
InChI=1S/C22H23NO6/c1-23(2)8-7-12-9-16(26-3)17(27-4)10-14(12)18-20(24)13-5-6-15-22(29-11-28-15)19(13)21(18)25/h5-6,9-10,18H,7-8,11H2,1-4H3

InChIKey:
OALWQTMURSABLQ-UHFFFAOYSA-N

DeepSMILES:
COcccccc6OC))))CCNC)C)))))CC=O)ccC5=O))cccc6OCO5

Functional groups:
CN(C)C, c1cOCO1, cC(C)=O, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2ccc3c(c2C(=O)C1c1ccccc1)OCO3

Scaffold Graph/Node level:
OC1C2CCC3OCOC3C2C(O)C1C1CCCCC1

Scaffold Graph level:
CC1C2CCC3CCCC3C2C(C)C1C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Indanes

ClassyFire Subclass: Indanones

NP-Likeness score: 0.529

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Chemical structure download